#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1okd h GLY 3 N 0.00 0.00 0.31 5.00 0.00 -1.75 -1.83 103.07 104.80 1okd h GLY 3 Ca 0.00 0.00 0.20 0.00 0.00 0.00 0.00 47.33 47.53 1okd h GLY 3 CO 0.00 0.00 0.65 1.41 0.00 0.00 0.00 176.54 178.60 1okd h LEU 4 N 0.00 0.00 -2.20 3.11 -0.00 -1.83 0.52 115.31 114.91 1okd h LEU 4 Ca 0.04 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.91 1okd h LEU 4 Cb 0.17 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 40.83 1okd h LEU 4 CO -0.00 0.00 -0.06 -0.78 -0.00 0.00 0.00 178.44 177.60 1okd h ASP 5 N 0.00 0.00 0.69 -0.43 1.82 -1.58 -1.53 116.42 115.39 1okd h ASP 5 Ca 0.33 0.00 -0.10 0.00 -0.39 0.00 0.00 57.03 56.87 1okd h ASP 5 Cb 1.63 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 41.62 1okd h ASP 5 CO -0.00 0.06 -0.46 0.07 -1.61 0.00 0.00 179.24 177.30 1okd h LYS 6 N 0.00 0.00 0.00 0.28 5.09 -0.17 -3.30 116.57 118.47 1okd h LYS 6 Ca -0.00 0.00 -0.01 0.00 0.09 0.00 0.00 60.65 60.72 1okd h LYS 6 Cb 0.18 0.00 -0.00 0.00 0.10 0.00 0.00 32.23 32.51 1okd h LYS 6 CO 0.01 0.46 -0.11 1.88 -2.09 0.00 0.00 179.45 179.59 1okd h TYR 7 N 0.00 0.00 -2.66 0.07 -1.99 -1.40 -3.47 116.97 107.51 1okd h TYR 7 Ca -0.00 0.00 -0.53 0.00 2.00 0.00 0.00 58.73 60.19 1okd h TYR 7 Cb 0.93 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 39.64 1okd h TYR 7 CO 0.00 0.52 -0.40 -0.51 -0.00 0.00 0.00 178.16 177.77 1okd s LEU 8 N -8.34 4.28 0.00 3.88 1.02 -1.01 -4.09 118.68 114.43 1okd s LEU 8 Ca -0.11 0.27 0.00 0.00 0.02 0.00 0.00 54.13 54.31 1okd s LEU 8 Cb -0.01 -3.03 0.00 0.00 0.02 0.00 0.00 46.19 43.18 1okd s LEU 8 CO 0.35 -0.00 0.00 -2.65 0.02 0.00 0.00 176.35 174.07 1okd n PRO 9 N -0.67 -1.08 -1.32 1.29 -0.02 -1.26 -4.60 135.00 127.34 1okd n PRO 9 Ca -0.06 0.00 -0.22 0.00 -2.02 0.00 0.00 63.50 61.20 1okd n PRO 9 Cb 0.54 0.00 -0.08 0.00 -0.02 0.00 0.00 33.50 33.95 1okd n PRO 9 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1okd n GLY 10 N 0.00 3.99 3.42 -1.23 0.00 -1.26 -4.90 105.19 105.20 1okd n GLY 10 Ca 0.00 -1.64 -0.34 0.00 0.00 0.00 0.00 46.02 44.04 1okd n GLY 10 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1okd n ILE 11 N 1.22 0.57 -0.09 -0.61 5.41 -1.26 -4.99 119.36 119.61 1okd n ILE 11 Ca 0.45 -0.26 -0.10 0.00 1.00 0.00 0.00 62.75 63.84 1okd n ILE 11 Cb 0.64 -0.64 -0.03 0.00 -0.71 0.00 0.00 39.64 38.89 1okd n ILE 11 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1okd n GLU 12 N -1.29 0.53 -4.36 0.38 1.02 -1.26 -5.06 120.64 110.60 1okd n GLU 12 Ca 0.07 0.21 -0.18 0.00 -0.02 0.00 0.00 57.16 57.25 1okd n GLU 12 Cb 0.52 -1.43 -0.10 0.00 -0.02 0.00 0.00 31.44 30.41 1okd n GLU 12 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1okd s LYS 13 N -2.88 1.41 0.32 3.49 1.02 -1.26 -4.05 119.74 117.78 1okd s LYS 13 Ca -0.30 -1.72 0.08 0.00 0.02 0.00 0.00 55.97 54.05 1okd s LYS 13 Cb 0.05 -0.72 -0.06 0.00 -0.52 0.00 0.00 37.83 36.58 1okd s LYS 13 CO 0.43 -0.09 -0.06 -0.51 -0.92 0.00 0.00 175.35 174.20 1okd s LEU 14 N -3.35 2.60 -0.71 3.17 1.43 -1.19 -4.78 118.68 115.84 1okd s LEU 14 Ca 0.30 -1.21 -0.22 0.00 -1.03 0.00 0.00 54.13 51.96 1okd s LEU 14 Cb 0.06 -0.80 0.08 0.00 0.03 0.00 0.00 46.19 45.56 1okd s LEU 14 CO 0.10 -0.30 1.00 -0.13 0.23 0.00 0.00 176.35 177.25 1okd s ARG 15 N -3.68 3.20 0.00 1.70 0.52 0.14 -3.10 118.95 117.72 1okd s ARG 15 Ca 0.31 -0.99 0.00 0.00 -0.52 0.00 0.00 55.73 54.54 1okd s ARG 15 Cb 0.04 -4.37 0.00 0.00 0.52 0.00 0.00 34.95 31.14 1okd s ARG 15 CO 0.14 -1.82 0.01 -2.13 0.02 0.00 0.00 175.30 171.52 1okd n ARG 16 N 7.56 0.00 0.00 3.54 3.00 -1.24 0.11 116.66 129.63 1okd n ARG 16 Ca 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.87 1okd n ARG 16 Cb 0.46 -0.15 0.00 0.00 0.00 0.00 0.00 32.46 32.77 1okd n ARG 16 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1okd n GLY 17 N 2.58 4.51 0.59 5.14 0.00 -1.22 -4.01 105.19 112.78 1okd n GLY 17 Ca 0.00 -0.60 0.42 0.00 0.00 0.00 0.00 46.02 45.84 1okd n GLY 17 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1okd h ASP 18 N 0.00 0.06 0.00 1.61 3.32 -1.92 -3.42 116.42 116.06 1okd h ASP 18 Ca 0.00 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.08 1okd h ASP 18 Cb 0.00 0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.57 1okd h ASP 18 CO 0.00 -0.02 0.00 0.61 -1.72 0.00 0.00 179.24 178.11 1okd n GLY 19 N -1.78 5.13 3.94 2.75 0.00 -1.26 -5.17 105.19 108.81 1okd n GLY 19 Ca 0.35 -1.38 -0.24 0.00 0.00 0.00 0.00 46.02 44.75 1okd n GLY 19 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1okd s GLU 20 N 1.08 3.49 0.10 1.61 -1.05 -1.26 -3.61 118.70 119.05 1okd s GLU 20 Ca 0.00 -0.46 0.03 0.00 -0.15 0.00 0.00 54.97 54.40 1okd s GLU 20 Cb 0.00 -2.80 -0.04 0.00 -0.44 0.00 0.00 34.13 30.85 1okd s GLU 20 CO 0.00 0.33 -0.09 0.08 0.95 0.00 0.00 175.26 176.52 1okd s VAL 21 N -2.04 0.93 0.39 1.83 1.01 -1.18 -4.90 120.40 116.44 1okd s VAL 21 Ca 0.38 -1.75 -0.13 0.00 0.00 0.00 0.00 61.98 60.48 1okd s VAL 21 Cb -0.10 -1.48 -0.07 0.00 0.00 0.00 0.00 36.38 34.73 1okd s VAL 21 CO 0.31 -0.64 0.79 -1.61 0.00 0.00 0.00 175.10 173.95 1okd s GLU 22 N -3.10 3.88 0.41 2.72 2.02 -1.26 -3.17 118.70 120.20 1okd s GLU 22 Ca 0.08 0.60 0.19 0.00 0.02 0.00 0.00 54.97 55.86 1okd s GLU 22 Cb -0.01 -2.37 0.88 0.00 0.10 0.00 0.00 34.13 32.73 1okd s GLU 22 CO -0.01 -0.00 1.85 0.28 0.02 0.00 0.00 175.26 177.40 1okd h VAL 23 N 1.37 0.94 -0.63 2.63 2.07 -1.96 -3.00 116.25 117.67 1okd h VAL 23 Ca -0.47 -1.20 0.18 0.00 0.82 0.00 0.00 66.70 66.03 1okd h VAL 23 Cb 1.18 1.70 -0.03 0.00 -1.52 0.00 0.00 31.29 32.63 1okd h VAL 23 CO 0.64 0.31 0.59 0.50 0.02 0.00 0.00 177.57 179.63 1okd h LYS 24 N 0.00 0.00 0.00 1.57 3.11 -1.93 0.25 116.57 119.56 1okd h LYS 24 Ca -0.00 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.84 1okd h LYS 24 Cb 0.68 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.91 1okd h LYS 24 CO 0.04 0.00 0.00 0.66 -2.81 0.00 0.00 179.45 177.34 1okd h SER 25 N 0.00 0.00 -0.96 4.20 4.64 -1.94 -2.01 113.55 117.48 1okd h SER 25 Ca 0.30 0.00 -0.62 0.00 -0.47 0.00 0.00 61.79 61.00 1okd h SER 25 Cb 1.48 0.00 -0.26 0.00 -0.31 0.00 0.00 62.40 63.31 1okd h SER 25 CO -0.00 0.00 0.80 0.18 -0.87 0.00 0.00 176.83 176.94 1okd n LEU 26 N -2.56 7.46 -4.18 5.97 4.77 0.86 -4.81 117.00 124.53 1okd n LEU 26 Ca -0.02 -4.14 -0.40 0.00 -0.03 0.00 0.00 56.01 51.43 1okd n LEU 26 Cb 0.05 -1.00 -0.06 0.00 -2.33 0.00 0.00 43.42 40.08 1okd n LEU 26 CO 0.14 1.45 0.30 0.00 -1.33 0.00 0.00 177.39 177.95 1okd s ALA 27 N -3.45 4.03 0.00 -1.18 0.00 -0.76 -4.56 121.76 115.84 1okd s ALA 27 Ca 0.58 -3.52 0.00 0.00 0.00 0.00 0.00 51.96 49.02 1okd s ALA 27 Cb 0.46 -3.01 0.00 0.00 0.00 0.00 0.00 23.12 20.57 1okd s ALA 27 CO -0.04 -2.17 0.00 0.41 0.00 0.00 0.00 175.76 173.96 1okd n GLY 28 N 3.15 0.60 3.59 0.00 0.00 -1.26 -5.02 105.19 106.25 1okd n GLY 28 Ca 0.15 -0.24 -0.14 0.00 0.00 0.00 0.00 46.02 45.79 1okd n GLY 28 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1okd s LYS 29 N -0.27 0.85 -0.31 1.61 -2.85 -1.26 -4.99 119.74 112.51 1okd s LYS 29 Ca 0.00 0.67 -0.29 0.00 -1.00 0.00 0.00 55.97 55.36 1okd s LYS 29 Cb 0.00 0.41 -0.02 0.00 -2.06 0.00 0.00 37.83 36.16 1okd s LYS 29 CO 0.00 -0.17 1.70 -1.17 0.10 0.00 0.00 175.35 175.81 1okd s LEU 30 N -0.21 3.61 -0.40 2.77 2.96 -1.26 -3.36 118.68 122.80 1okd s LEU 30 Ca -0.03 1.32 -0.14 0.00 -0.22 0.00 0.00 54.13 55.06 1okd s LEU 30 Cb -0.03 -3.53 0.02 0.00 0.50 0.00 0.00 46.19 43.15 1okd s LEU 30 CO 0.03 -1.56 0.28 -0.69 -1.32 0.00 0.00 176.35 173.08 1okd s VAL 31 N 6.27 5.13 0.33 1.68 1.01 -0.88 -2.38 120.40 131.57 1okd s VAL 31 Ca 0.75 -0.65 -0.09 0.00 0.00 0.00 0.00 61.98 62.00 1okd s VAL 31 Cb -0.22 -3.83 -0.06 0.00 0.00 0.00 0.00 36.38 32.26 1okd s VAL 31 CO 0.33 -0.26 0.66 -0.36 0.00 0.00 0.00 175.10 175.46 1okd s PHE 32 N 1.66 3.45 -0.27 5.22 0.08 -0.44 -2.35 117.98 125.34 1okd s PHE 32 Ca 0.05 0.90 0.01 0.00 0.12 0.00 0.00 56.93 58.00 1okd s PHE 32 Cb -0.19 -2.31 0.08 0.00 -0.57 0.00 0.00 43.02 40.03 1okd s PHE 32 CO 0.09 0.07 -0.01 -0.06 -0.10 0.00 0.00 175.22 175.22 1okd s PHE 33 N -2.14 2.63 -0.25 0.36 0.08 0.47 0.75 117.98 119.88 1okd s PHE 33 Ca 0.48 -2.06 -0.11 0.00 0.12 0.00 0.00 56.93 55.37 1okd s PHE 33 Cb -0.11 -1.91 -0.05 0.00 -0.57 0.00 0.00 43.02 40.38 1okd s PHE 33 CO 0.28 -0.84 0.16 -0.47 -0.10 0.00 0.00 175.22 174.26 1okd s TYR 34 N 1.31 3.28 -0.11 0.36 5.04 19.75 -0.90 117.35 146.08 1okd s TYR 34 Ca 0.00 0.18 -0.03 0.00 -2.44 0.00 0.00 57.07 54.79 1okd s TYR 34 Cb -0.19 -2.29 -0.03 0.00 0.35 0.00 0.00 41.96 39.79 1okd s TYR 34 CO -0.10 0.00 0.01 -0.06 -1.34 0.00 0.00 175.55 174.07 1okd s PHE 35 N 1.24 3.18 0.04 4.97 0.40 -0.64 0.88 117.98 128.06 1okd s PHE 35 Ca 0.07 0.15 -0.26 0.00 -0.60 0.00 0.00 56.93 56.29 1okd s PHE 35 Cb -0.14 -1.85 0.09 0.00 0.51 0.00 0.00 43.02 41.63 1okd s PHE 35 CO 0.06 0.40 1.21 0.45 0.70 0.00 0.00 175.22 178.04 1okd s SER 36 N -0.63 0.01 0.18 1.36 0.15 -1.12 -1.34 113.70 112.31 1okd s SER 36 Ca 0.10 -0.35 -0.08 0.00 0.70 0.00 0.00 55.95 56.33 1okd s SER 36 Cb -0.12 0.25 -0.02 0.00 -1.71 0.00 0.00 66.02 64.43 1okd s SER 36 CO 0.02 -0.50 0.28 0.00 1.20 0.00 0.00 173.24 174.24 1okd s ALA 37 N -2.04 0.20 -2.20 5.45 0.00 -1.26 0.11 121.76 122.03 1okd s ALA 37 Ca 0.28 -1.06 0.18 0.00 0.00 0.00 0.00 51.96 51.36 1okd s ALA 37 Cb -0.01 0.99 0.64 0.00 0.00 0.00 0.00 23.12 24.74 1okd s ALA 37 CO 0.01 -0.67 1.47 -1.13 0.00 0.00 0.00 175.76 175.45 1okd n SER 38 N -0.25 1.68 0.00 0.00 3.41 -1.26 -3.72 113.62 113.48 1okd n SER 38 Ca -0.05 -1.78 0.00 0.00 -0.26 0.00 0.00 58.87 56.79 1okd n SER 38 Cb 0.63 -0.14 0.00 0.00 -0.26 0.00 0.00 64.21 64.45 1okd n SER 38 CO 0.00 0.00 0.00 -2.67 -0.16 0.00 0.00 175.04 172.21 1okd n TRP 39 N 0.35 0.00 -1.42 7.33 4.27 -1.26 -5.05 117.44 121.66 1okd n TRP 39 Ca 0.15 0.00 -0.36 0.00 -3.89 0.00 0.00 57.50 53.40 1okd n TRP 39 Cb 0.31 0.00 0.08 0.00 -1.36 0.00 0.00 31.31 30.34 1okd n TRP 39 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1okd h PRO 41 N -0.07 -0.02 0.01 0.00 0.11 -1.94 -3.33 132.00 126.75 1okd h PRO 41 Ca -0.47 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.64 1okd h PRO 41 Cb 1.34 0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.46 1okd h PRO 41 CO 0.47 -0.02 -0.00 -1.35 -0.21 0.00 0.00 178.00 176.89 1okd h PRO 42 N -0.03 -0.01 -4.85 1.05 0.11 -1.93 -3.46 132.00 122.89 1okd h PRO 42 Ca 0.10 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 66.07 1okd h PRO 42 Cb 0.17 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.25 1okd h PRO 42 CO -0.21 -0.01 -0.18 0.00 -0.21 0.00 0.00 178.00 177.39 1okd s ARG 44 N -5.22 0.33 0.00 0.00 6.06 -1.26 -4.93 118.95 113.93 1okd s ARG 44 Ca 0.08 0.26 0.00 0.00 -2.50 0.00 0.00 55.73 53.57 1okd s ARG 44 Cb -0.05 0.13 0.00 0.00 0.06 0.00 0.00 34.95 35.10 1okd s ARG 44 CO 0.10 -0.60 0.00 0.41 -2.50 0.00 0.00 175.30 172.71 1okd n GLY 45 N 5.11 3.35 0.05 8.12 0.00 -1.26 -4.92 105.19 115.63 1okd n GLY 45 Ca 0.08 -0.48 -0.03 0.00 0.00 0.00 0.00 46.02 45.58 1okd n GLY 45 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1okd n PHE 46 N 0.00 0.00 0.16 1.61 7.35 -1.26 -4.32 117.46 121.00 1okd n PHE 46 Ca 0.00 0.00 -0.14 0.00 -0.76 0.00 0.00 57.45 56.55 1okd n PHE 46 Cb 0.00 -0.55 -0.07 0.00 0.35 0.00 0.00 39.48 39.22 1okd n PHE 46 CO 0.00 0.00 0.00 1.79 -0.76 0.00 0.00 176.76 177.79 1okd h THR 47 N 0.00 0.38 -0.03 -2.13 1.35 -1.91 -1.96 112.91 108.60 1okd h THR 47 Ca -0.25 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.61 1okd h THR 47 Cb 1.48 0.38 0.00 0.00 -1.73 0.00 0.00 68.15 68.28 1okd h THR 47 CO 0.01 0.00 0.00 -0.81 -0.25 0.00 0.00 175.52 174.47 1okd n PRO 48 N -5.41 1.10 0.09 4.72 -0.04 -1.26 -3.55 135.00 130.64 1okd n PRO 48 Ca -0.08 -0.15 -0.15 0.00 -0.04 0.00 0.00 63.50 63.08 1okd n PRO 48 Cb 0.31 -1.20 -0.09 0.00 -0.04 0.00 0.00 33.50 32.49 1okd n PRO 48 CO 0.00 0.00 0.00 0.37 -0.04 0.00 0.00 175.50 175.83 1okd h GLN 49 N 0.27 0.37 -0.24 0.54 5.75 -1.54 -2.98 115.11 117.28 1okd h GLN 49 Ca 0.00 -0.48 0.04 0.00 -0.15 0.00 0.00 58.65 58.05 1okd h GLN 49 Cb 0.06 0.16 -0.04 0.00 1.07 0.00 0.00 27.48 28.73 1okd h GLN 49 CO 0.00 1.17 0.02 1.25 -2.65 0.00 0.00 178.83 178.62 1okd h LEU 50 N 0.17 -0.06 -0.37 -2.39 7.12 -1.62 0.62 115.31 118.79 1okd h LEU 50 Ca -0.11 0.05 -0.01 0.00 0.13 0.00 0.00 57.88 57.94 1okd h LEU 50 Cb 1.76 0.08 -0.02 0.00 -0.53 0.00 0.00 40.66 41.95 1okd h LEU 50 CO 0.19 0.00 0.19 0.40 -0.13 0.00 0.00 178.44 179.09 1okd h ILE 51 N 0.10 1.15 -0.05 4.05 1.08 -1.79 0.48 117.51 122.54 1okd h ILE 51 Ca 0.11 -0.41 0.02 0.00 -0.39 0.00 0.00 64.86 64.20 1okd h ILE 51 Cb 0.14 0.75 -0.03 0.00 -3.07 0.00 0.00 36.82 34.61 1okd h ILE 51 CO -0.18 0.16 -0.09 -0.08 -0.69 0.00 0.00 178.15 177.27 1okd h GLU 52 N 0.46 -0.13 -0.46 2.37 4.57 -1.29 0.65 114.58 120.76 1okd h GLU 52 Ca 0.13 0.01 -0.07 0.00 -1.18 0.00 0.00 59.36 58.25 1okd h GLU 52 Cb 0.08 0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 28.68 1okd h GLU 52 CO -0.02 -0.09 0.00 0.35 -1.18 0.00 0.00 179.01 178.08 1okd h PHE 53 N -0.14 0.79 0.67 0.92 3.57 -0.71 -2.87 116.94 119.18 1okd h PHE 53 Ca 0.05 -0.10 -0.03 0.00 3.53 0.00 0.00 57.97 61.42 1okd h PHE 53 Cb 0.21 -0.22 0.00 0.00 2.79 0.00 0.00 35.95 38.73 1okd h PHE 53 CO -0.18 0.73 -0.36 -0.92 -2.23 0.00 0.00 178.31 175.35 1okd h TYR 54 N 0.70 -0.94 -0.28 0.41 3.20 0.76 -2.49 116.97 118.33 1okd h TYR 54 Ca 0.14 -0.02 0.08 0.00 3.14 0.00 0.00 58.73 62.08 1okd h TYR 54 Cb 0.42 0.32 -0.01 0.00 1.54 0.00 0.00 36.73 39.00 1okd h TYR 54 CO 0.02 -0.57 0.28 0.22 -1.64 0.00 0.00 178.16 176.48 1okd h ASP 55 N -0.96 0.00 0.25 -2.11 1.82 -0.84 0.41 116.42 114.99 1okd h ASP 55 Ca -0.09 0.00 0.01 0.00 -0.39 0.00 0.00 57.03 56.56 1okd h ASP 55 Cb 0.75 0.00 -0.03 0.00 0.68 0.00 0.00 39.33 40.73 1okd h ASP 55 CO 0.12 0.00 -0.32 0.11 -1.61 0.00 0.00 179.24 177.55 1okd h LYS 56 N 0.00 -0.60 0.00 0.28 1.79 -1.21 -3.40 116.57 113.44 1okd h LYS 56 Ca 0.13 0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.65 1okd h LYS 56 Cb 0.70 0.14 0.00 0.00 -1.58 0.00 0.00 32.23 31.49 1okd h LYS 56 CO -0.00 -0.40 0.00 1.19 -1.08 0.00 0.00 179.45 179.16 1okd n PHE 57 N -5.42 0.00 -0.00 -1.35 3.01 -1.10 -4.85 117.46 107.75 1okd n PHE 57 Ca -0.08 -0.01 0.23 0.00 1.01 0.00 0.00 57.45 58.60 1okd n PHE 57 Cb 0.33 -0.00 0.67 0.00 -0.01 0.00 0.00 39.48 40.47 1okd n PHE 57 CO 0.00 0.00 0.00 1.12 1.01 0.00 0.00 176.76 178.89 1okd h HIS 58 N 0.00 0.00 0.00 1.38 2.07 -0.40 1.05 115.15 119.25 1okd h HIS 58 Ca 0.00 0.00 -0.19 0.00 -2.85 0.00 0.00 60.37 57.33 1okd h HIS 58 Cb 0.69 0.00 -0.03 0.00 2.57 0.00 0.00 27.41 30.65 1okd h HIS 58 CO 0.00 0.00 -0.90 0.93 -3.07 0.00 0.00 177.93 174.89 1okd h GLU 59 N 0.00 0.00 0.00 5.12 5.08 -1.86 -2.26 114.58 120.66 1okd h GLU 59 Ca 0.28 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.50 1okd h GLU 59 Cb 1.61 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.84 1okd h GLU 59 CO -0.00 0.90 -1.07 0.43 -1.00 0.00 0.00 179.01 178.27 1okd n SER 60 N -3.45 1.85 0.12 1.42 7.64 0.31 -4.22 113.62 117.30 1okd n SER 60 Ca -0.00 0.49 0.11 0.00 1.01 0.00 0.00 58.87 60.48 1okd n SER 60 Cb 0.86 -0.90 0.48 0.00 -1.01 0.00 0.00 64.21 63.65 1okd n SER 60 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1okd n LYS 61 N -4.49 0.15 -3.94 1.43 5.02 0.17 -4.90 118.16 111.60 1okd n LYS 61 Ca -0.23 0.48 -0.40 0.00 -2.02 0.00 0.00 58.31 56.14 1okd n LYS 61 Cb 0.52 -1.85 0.02 0.00 -0.02 0.00 0.00 35.03 33.70 1okd n LYS 61 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 1okd n ASN 62 N -2.16 -4.54 -4.59 4.39 6.94 -0.85 -4.93 115.26 109.52 1okd n ASN 62 Ca 0.01 -1.18 -0.27 0.00 -0.02 0.00 0.00 54.58 53.12 1okd n ASN 62 Cb 0.15 -2.03 -0.11 0.00 -2.36 0.00 0.00 39.78 35.44 1okd n ASN 62 CO 0.00 0.00 0.00 0.72 -1.03 0.00 0.00 177.26 176.95 1okd s PHE 63 N -3.42 2.36 -0.01 -2.53 -0.71 -1.25 -4.64 117.98 107.79 1okd s PHE 63 Ca 0.40 -0.75 0.02 0.00 -1.04 0.00 0.00 56.93 55.56 1okd s PHE 63 Cb -0.21 -1.66 -0.00 0.00 -1.21 0.00 0.00 43.02 39.94 1okd s PHE 63 CO 0.94 0.34 -0.07 -2.00 -1.34 0.00 0.00 175.22 173.09 1okd s GLU 64 N -3.76 0.61 -0.27 1.99 -6.30 -1.00 -4.96 118.70 105.01 1okd s GLU 64 Ca 0.34 -0.23 0.02 0.00 -2.50 0.00 0.00 54.97 52.59 1okd s GLU 64 Cb 0.09 -0.60 0.06 0.00 0.00 0.00 0.00 34.13 33.68 1okd s GLU 64 CO 0.17 0.12 -0.07 0.08 0.02 0.00 0.00 175.26 175.57 1okd s VAL 65 N -0.02 2.40 0.13 3.70 1.01 -1.26 -1.32 120.40 125.04 1okd s VAL 65 Ca 0.01 -1.59 -0.09 0.00 0.00 0.00 0.00 61.98 60.30 1okd s VAL 65 Cb -0.04 -2.42 -0.06 0.00 0.00 0.00 0.00 36.38 33.86 1okd s VAL 65 CO -0.00 -0.07 0.44 -0.69 0.00 0.00 0.00 175.10 174.78 1okd s VAL 66 N 1.14 5.05 -0.12 2.92 1.01 0.23 -4.06 120.40 126.57 1okd s VAL 66 Ca -0.07 0.40 0.03 0.00 0.00 0.00 0.00 61.98 62.33 1okd s VAL 66 Cb -0.20 -3.64 0.01 0.00 0.00 0.00 0.00 36.38 32.55 1okd s VAL 66 CO -0.04 0.15 -0.20 0.12 0.00 0.00 0.00 175.10 175.13 1okd s PHE 67 N -1.55 2.42 -0.49 5.22 2.19 -1.10 0.05 117.98 124.72 1okd s PHE 67 Ca 0.38 -1.16 -0.17 0.00 0.33 0.00 0.00 56.93 56.32 1okd s PHE 67 Cb -0.13 -1.66 0.07 0.00 -1.31 0.00 0.00 43.02 39.98 1okd s PHE 67 CO 0.20 -0.53 0.49 0.00 1.83 0.00 0.00 175.22 177.21 1okd n THR 69 N 5.36 0.00 -2.78 0.00 5.66 -1.26 -2.81 114.28 118.46 1okd n THR 69 Ca -0.10 -0.23 -0.01 0.00 -3.05 0.00 0.00 64.05 60.65 1okd n THR 69 Cb 0.44 -0.88 0.08 0.00 -1.55 0.00 0.00 70.33 68.42 1okd n THR 69 CO 0.00 0.00 0.00 0.79 -3.05 0.00 0.00 175.07 172.81 1okd n TRP 70 N -4.45 0.10 -4.23 1.09 5.03 0.30 -4.69 117.44 110.60 1okd n TRP 70 Ca 0.06 -2.01 -0.23 0.00 3.03 0.00 0.00 57.50 58.35 1okd n TRP 70 Cb 0.54 0.39 -0.06 0.00 -1.03 0.00 0.00 31.31 31.15 1okd n TRP 70 CO 0.00 0.00 0.00 0.34 -0.03 0.00 0.00 177.69 178.00 1okd s ASP 71 N -2.87 4.88 -0.01 -0.99 -1.08 -1.26 -4.62 116.67 110.71 1okd s ASP 71 Ca 0.21 -0.49 0.09 0.00 -0.52 0.00 0.00 52.55 51.84 1okd s ASP 71 Cb 0.37 -1.04 -0.23 0.00 -1.46 0.00 0.00 42.92 40.55 1okd s ASP 71 CO -0.07 -0.00 0.79 1.05 0.52 0.00 0.00 175.17 177.46 1okd h GLU 72 N 1.85 0.03 -5.91 4.34 4.11 -2.00 -3.46 114.58 113.55 1okd h GLU 72 Ca -0.46 -0.05 -0.58 0.00 0.07 0.00 0.00 59.36 58.34 1okd h GLU 72 Cb 1.24 0.02 -0.07 0.00 0.50 0.00 0.00 28.75 30.44 1okd h GLU 72 CO 0.60 0.68 -0.10 -2.00 0.07 0.00 0.00 179.01 178.26 1okd s GLU 73 N -2.62 4.26 -0.05 1.06 2.12 -1.26 -5.00 118.70 117.21 1okd s GLU 73 Ca -0.05 0.55 -0.19 0.00 0.36 0.00 0.00 54.97 55.65 1okd s GLU 73 Cb 0.08 -3.37 -0.13 0.00 0.26 0.00 0.00 34.13 30.97 1okd s GLU 73 CO 0.82 0.32 0.77 0.93 -0.54 0.00 0.00 175.26 177.56 1okd h GLU 74 N 6.00 -0.27 -0.02 4.30 3.07 -2.00 -2.73 114.58 122.94 1okd h GLU 74 Ca -0.44 0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.44 1okd h GLU 74 Cb 1.19 0.06 -0.00 0.00 -0.84 0.00 0.00 28.75 29.16 1okd h GLU 74 CO 0.71 0.08 0.01 0.22 -1.40 0.00 0.00 179.01 178.64 1okd h ASP 75 N -0.94 0.00 0.30 1.42 1.82 -1.98 -1.54 116.42 115.51 1okd h ASP 75 Ca -0.03 0.00 -0.01 0.00 -0.39 0.00 0.00 57.03 56.60 1okd h ASP 75 Cb 0.48 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.49 1okd h ASP 75 CO 0.05 0.00 -0.15 1.23 -1.61 0.00 0.00 179.24 178.76 1okd h GLY 76 N 0.00 -0.43 1.47 -0.78 0.00 -1.97 0.35 103.07 101.72 1okd h GLY 76 Ca 0.01 0.16 -0.01 0.00 0.00 0.00 0.00 47.33 47.49 1okd h GLY 76 CO -0.00 -0.16 0.27 0.27 0.00 0.00 0.00 176.54 176.92 1okd h PHE 77 N -0.93 0.68 0.03 5.60 -5.15 -1.31 -2.26 116.94 113.60 1okd h PHE 77 Ca -0.04 -0.01 -0.00 0.00 -0.20 0.00 0.00 57.97 57.72 1okd h PHE 77 Cb 0.51 -0.22 0.00 0.00 0.22 0.00 0.00 35.95 36.46 1okd h PHE 77 CO 0.04 0.48 -0.01 0.00 -2.00 0.00 0.00 178.31 176.82 1okd h ALA 78 N 1.60 -0.03 0.00 12.09 0.00 -1.33 0.89 119.26 132.47 1okd h ALA 78 Ca 0.18 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1okd h ALA 78 Cb 0.03 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1okd h ALA 78 CO -0.03 -0.06 0.18 0.41 0.00 0.00 0.00 179.25 179.75 1okd n GLY 79 N 1.42 -0.64 0.48 0.00 0.00 0.12 0.04 105.19 106.60 1okd n GLY 79 Ca -0.07 0.12 -0.05 0.00 0.00 0.00 0.00 46.02 46.02 1okd n GLY 79 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1okd n TYR 80 N -1.98 0.00 0.12 1.61 4.19 -0.85 -4.77 117.16 115.47 1okd n TYR 80 Ca -0.01 0.00 -0.21 0.00 3.31 0.00 0.00 57.90 60.99 1okd n TYR 80 Cb 0.20 -0.25 -0.14 0.00 0.49 0.00 0.00 39.34 39.63 1okd n TYR 80 CO 0.00 0.00 0.00 0.74 0.91 0.00 0.00 176.86 178.51 1okd h PHE 81 N -0.51 0.85 -1.02 2.98 0.04 0.96 -3.30 116.94 116.94 1okd h PHE 81 Ca 0.00 -0.59 0.30 0.00 2.80 0.00 0.00 57.97 60.48 1okd h PHE 81 Cb 0.51 -0.05 -0.04 0.00 2.20 0.00 0.00 35.95 38.57 1okd h PHE 81 CO -0.22 1.45 0.93 0.00 -0.60 0.00 0.00 178.31 179.87 1okd h ALA 82 N 0.33 2.89 -0.22 2.45 0.00 -0.38 0.54 119.26 124.86 1okd h ALA 82 Ca -0.20 -0.04 0.06 0.00 0.00 0.00 0.00 54.91 54.74 1okd h ALA 82 Cb 2.03 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.89 1okd h ALA 82 CO 0.24 -1.45 0.20 0.87 0.00 0.00 0.00 179.25 179.11 1okd h LYS 83 N 0.00 0.00 -6.94 0.00 1.57 -1.64 -3.42 116.57 106.13 1okd h LYS 83 Ca 0.49 0.00 -0.52 0.00 -1.87 0.00 0.00 60.65 58.74 1okd h LYS 83 Cb 2.33 0.00 0.08 0.00 0.08 0.00 0.00 32.23 34.72 1okd h LYS 83 CO -0.01 0.00 0.60 -1.64 -0.57 0.00 0.00 179.45 177.83 1okd s MET 84 N -4.81 4.03 0.07 3.15 -1.94 0.19 -4.96 119.30 115.03 1okd s MET 84 Ca -0.05 2.11 -0.12 0.00 -1.71 0.00 0.00 55.69 55.92 1okd s MET 84 Cb 0.17 -2.79 -0.25 0.00 2.01 0.00 0.00 34.83 33.97 1okd s MET 84 CO 0.62 -0.43 1.15 -1.00 -0.01 0.00 0.00 175.02 175.35 1okd h PRO 85 N 2.76 0.58 -6.47 2.03 0.13 -1.82 -3.41 132.00 125.80 1okd h PRO 85 Ca -0.49 -0.74 -0.49 0.00 -0.87 0.00 0.00 66.00 63.41 1okd h PRO 85 Cb 1.24 0.24 0.24 0.00 0.13 0.00 0.00 31.00 32.85 1okd h PRO 85 CO 0.63 1.32 -1.47 -2.67 -0.23 0.00 0.00 178.00 175.58 1okd n TRP 86 N -3.77 -1.75 -2.93 1.56 2.14 -1.26 -3.41 117.44 108.02 1okd n TRP 86 Ca -0.12 0.27 -0.41 0.00 2.07 0.00 0.00 57.50 59.31 1okd n TRP 86 Cb 0.95 -1.54 -0.04 0.00 -0.81 0.00 0.00 31.31 29.87 1okd n TRP 86 CO 0.00 0.00 0.00 -0.51 2.07 0.00 0.00 177.69 179.25 1okd s LEU 87 N 1.84 4.28 -0.04 5.67 1.43 -1.26 -4.17 118.68 126.42 1okd s LEU 87 Ca 0.50 1.27 0.05 0.00 -1.03 0.00 0.00 54.13 54.91 1okd s LEU 87 Cb -0.08 -3.22 -0.01 0.00 0.03 0.00 0.00 46.19 42.91 1okd s LEU 87 CO 0.68 -0.24 -0.18 0.00 0.23 0.00 0.00 176.35 176.83 1okd s ALA 88 N 1.32 1.62 0.01 4.21 0.00 0.29 -2.72 121.76 126.49 1okd s ALA 88 Ca 0.40 -0.75 -0.30 0.00 0.00 0.00 0.00 51.96 51.31 1okd s ALA 88 Cb -0.18 -0.52 -0.09 0.00 0.00 0.00 0.00 23.12 22.34 1okd s ALA 88 CO 0.18 0.31 1.99 0.08 0.00 0.00 0.00 175.76 178.32 1okd s VAL 89 N -0.03 3.02 0.70 0.00 1.01 -1.23 0.25 120.40 124.12 1okd s VAL 89 Ca -0.03 0.02 -0.16 0.00 0.00 0.00 0.00 61.98 61.82 1okd s VAL 89 Cb -0.11 -3.02 0.02 0.00 0.00 0.00 0.00 36.38 33.27 1okd s VAL 89 CO 0.02 -0.00 1.20 -2.16 0.00 0.00 0.00 175.10 174.16 1okd s PRO 90 N 4.64 2.34 0.56 2.72 0.04 -1.26 -4.72 135.00 139.31 1okd s PRO 90 Ca 0.90 1.74 0.34 0.00 0.04 0.00 0.00 61.00 64.01 1okd s PRO 90 Cb -0.42 -1.86 1.48 0.00 0.04 0.00 0.00 34.50 33.74 1okd s PRO 90 CO 0.41 -1.68 1.80 0.35 0.04 0.00 0.00 177.00 177.92 1okd h PHE 91 N -0.08 0.00 -0.94 0.56 3.57 -1.97 0.11 116.94 118.19 1okd h PHE 91 Ca -0.48 0.00 0.19 0.00 3.53 0.00 0.00 57.97 61.21 1okd h PHE 91 Cb 1.29 0.00 -0.08 0.00 2.79 0.00 0.00 35.95 39.95 1okd h PHE 91 CO 0.48 0.00 0.60 0.00 -2.23 0.00 0.00 178.31 177.16 1okd h ALA 92 N 1.37 1.97 -0.70 2.41 0.00 -2.01 -1.17 119.26 121.13 1okd h ALA 92 Ca 0.46 0.04 -0.47 0.00 0.00 0.00 0.00 54.91 54.94 1okd h ALA 92 Cb 2.01 -0.06 -0.30 0.00 0.00 0.00 0.00 17.79 19.44 1okd h ALA 92 CO -0.00 -0.27 -0.17 1.04 0.00 0.00 0.00 179.25 179.84 1okd n GLN 93 N -4.60 2.84 0.25 0.00 1.13 0.39 -4.70 117.38 112.70 1okd n GLN 93 Ca 0.20 -3.66 0.08 0.00 -1.94 0.00 0.00 57.00 51.69 1okd n GLN 93 Cb 0.62 -2.14 0.63 0.00 0.11 0.00 0.00 30.24 29.45 1okd n GLN 93 CO 0.00 0.00 0.00 0.77 -1.44 0.00 0.00 177.06 176.39 1okd h SER 94 N 1.78 0.00 -0.53 1.08 0.02 -1.23 -1.37 113.55 113.29 1okd h SER 94 Ca 0.39 0.00 0.15 0.00 -0.84 0.00 0.00 61.79 61.49 1okd h SER 94 Cb 1.40 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.92 1okd h SER 94 CO 0.86 0.07 0.38 -0.33 -1.14 0.00 0.00 176.83 176.68 1okd h GLU 95 N 0.00 0.00 -0.51 3.45 4.39 -1.84 0.10 114.58 120.17 1okd h GLU 95 Ca -0.00 0.00 -0.09 0.00 0.34 0.00 0.00 59.36 59.61 1okd h GLU 95 Cb 0.14 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.77 1okd h GLU 95 CO 0.01 0.00 -0.04 0.00 -1.16 0.00 0.00 179.01 177.82 1okd h ALA 96 N 1.73 0.96 -0.73 3.43 0.00 -1.63 -1.89 119.26 121.13 1okd h ALA 96 Ca 0.25 -0.30 0.02 0.00 0.00 0.00 0.00 54.91 54.88 1okd h ALA 96 Cb 1.02 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.57 1okd h ALA 96 CO -0.00 0.62 0.48 0.28 0.00 0.00 0.00 179.25 180.63 1okd h VAL 97 N 0.81 1.16 0.15 0.00 2.07 -0.91 1.66 116.25 121.19 1okd h VAL 97 Ca 0.15 -0.33 -0.28 0.00 0.82 0.00 0.00 66.70 67.06 1okd h VAL 97 Cb 0.55 0.13 0.01 0.00 -1.52 0.00 0.00 31.29 30.45 1okd h VAL 97 CO 0.03 0.17 -1.28 0.06 0.02 0.00 0.00 177.57 176.58 1okd h GLN 98 N 0.95 0.33 0.05 1.57 3.07 -1.48 -2.04 115.11 117.55 1okd h GLN 98 Ca 0.28 -0.55 -0.25 0.00 0.09 0.00 0.00 58.65 58.22 1okd h GLN 98 Cb -0.05 0.20 -0.02 0.00 0.08 0.00 0.00 27.48 27.69 1okd h GLN 98 CO -0.07 1.26 -1.24 0.87 0.09 0.00 0.00 178.83 179.74 1okd h LYS 99 N 0.09 0.10 0.00 0.06 1.79 -0.87 -3.00 116.57 114.75 1okd h LYS 99 Ca -0.15 -0.18 -0.01 0.00 -2.18 0.00 0.00 60.65 58.13 1okd h LYS 99 Cb 2.00 0.07 -0.00 0.00 -1.58 0.00 0.00 32.23 32.71 1okd h LYS 99 CO 0.22 1.00 -0.08 1.37 -1.08 0.00 0.00 179.45 180.88 1okd h LEU 100 N 0.03 0.00 -1.74 2.94 8.10 0.23 -3.32 115.31 121.55 1okd h LEU 100 Ca -0.11 -0.79 0.14 0.00 0.11 0.00 0.00 57.88 57.23 1okd h LEU 100 Cb 1.89 0.00 -0.04 0.00 -0.44 0.00 0.00 40.66 42.07 1okd h LEU 100 CO 0.15 0.94 0.44 0.77 -4.11 0.00 0.00 178.44 176.62 1okd h SER 101 N -1.00 0.25 -0.25 0.17 4.64 -1.50 0.47 113.55 116.32 1okd h SER 101 Ca -0.02 0.01 0.07 0.00 -0.47 0.00 0.00 61.79 61.39 1okd h SER 101 Cb 0.84 -0.04 -0.01 0.00 -0.31 0.00 0.00 62.40 62.88 1okd h SER 101 CO -0.01 0.14 0.20 0.50 -0.87 0.00 0.00 176.83 176.79 1okd h LYS 102 N 0.27 0.00 0.00 4.77 1.63 -1.62 0.61 116.57 122.23 1okd h LYS 102 Ca 0.31 0.00 -0.10 0.00 -0.85 0.00 0.00 60.65 60.00 1okd h LYS 102 Cb 0.83 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.44 1okd h LYS 102 CO -0.07 0.00 -0.48 0.45 -3.45 0.00 0.00 179.45 175.90 1okd h HIS 103 N 0.00 0.00 -0.41 1.91 3.86 -1.04 -2.74 115.15 116.74 1okd h HIS 103 Ca 0.12 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.33 1okd h HIS 103 Cb 0.52 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.99 1okd h HIS 103 CO 0.00 0.48 0.00 1.19 0.86 0.00 0.00 177.93 180.46 1okd n PHE 104 N -3.76 0.54 -3.54 2.45 3.72 0.17 -4.93 117.46 112.11 1okd n PHE 104 Ca -0.01 -0.27 -0.26 0.00 -0.05 0.00 0.00 57.45 56.86 1okd n PHE 104 Cb 0.53 0.00 0.01 0.00 -0.94 0.00 0.00 39.48 39.08 1okd n PHE 104 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 1okd n ASN 105 N 0.99 -4.40 -4.54 4.37 5.15 -0.99 -4.76 115.26 111.08 1okd n ASN 105 Ca 0.18 -0.53 -0.30 0.00 -0.60 0.00 0.00 54.58 53.32 1okd n ASN 105 Cb 0.46 -3.57 -0.08 0.00 -0.53 0.00 0.00 39.78 36.05 1okd n ASN 105 CO 0.00 0.00 0.00 0.52 1.40 0.00 0.00 177.26 179.18 1okd n VAL 106 N -4.28 -0.04 -0.04 3.44 0.31 -1.16 -4.78 118.33 111.78 1okd n VAL 106 Ca -0.00 -0.56 -0.12 0.00 -0.01 0.00 0.00 64.34 63.65 1okd n VAL 106 Cb 0.54 -1.93 -0.07 0.00 -0.91 0.00 0.00 33.84 31.48 1okd n VAL 106 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 1okd h GLU 107 N 15.77 0.22 -2.72 5.55 4.57 -1.94 -3.47 114.58 132.57 1okd h GLU 107 Ca -0.12 -0.08 -0.09 0.00 -1.18 0.00 0.00 59.36 57.89 1okd h GLU 107 Cb 1.20 -0.01 -0.19 0.00 -0.16 0.00 0.00 28.75 29.59 1okd h GLU 107 CO 1.21 0.51 -0.08 -1.12 -1.18 0.00 0.00 179.01 178.34 1okd s SER 108 N -5.79 -0.36 0.43 1.04 0.01 -1.26 -5.17 113.70 102.60 1okd s SER 108 Ca -0.14 0.25 -0.04 0.00 1.31 0.00 0.00 55.95 57.33 1okd s SER 108 Cb 0.05 0.41 -0.04 0.00 0.21 0.00 0.00 66.02 66.65 1okd s SER 108 CO 0.71 -0.56 0.72 0.27 0.41 0.00 0.00 173.24 174.79 1okd s ILE 109 N -1.61 4.95 0.25 1.44 -0.00 -1.26 -4.44 121.20 120.54 1okd s ILE 109 Ca -0.11 0.07 -0.09 0.00 -0.00 0.00 0.00 60.65 60.52 1okd s ILE 109 Cb -0.02 -3.85 -0.07 0.00 -0.00 0.00 0.00 42.46 38.52 1okd s ILE 109 CO 0.04 -0.73 0.57 -2.16 -0.00 0.00 0.00 174.94 172.66 1okd s PRO 110 N -4.51 3.78 0.36 0.37 0.04 -1.26 -4.93 135.00 128.85 1okd s PRO 110 Ca 0.46 0.25 0.04 0.00 0.04 0.00 0.00 61.00 61.79 1okd s PRO 110 Cb -0.10 -2.62 -0.05 0.00 0.04 0.00 0.00 34.50 31.77 1okd s PRO 110 CO 0.41 0.27 0.07 -0.08 0.04 0.00 0.00 177.00 177.71 1okd s THR 111 N -1.90 1.04 -0.13 1.26 -1.32 -0.45 -4.98 115.64 109.15 1okd s THR 111 Ca 0.47 -2.00 -0.05 0.00 -1.21 0.00 0.00 61.69 58.90 1okd s THR 111 Cb -0.11 -2.64 0.07 0.00 -1.51 0.00 0.00 72.50 68.30 1okd s THR 111 CO 0.23 0.00 0.28 -0.22 -2.21 0.00 0.00 174.62 172.70 1okd s LEU 112 N -3.54 -0.28 0.05 9.08 2.96 -1.26 -1.62 118.68 124.06 1okd s LEU 112 Ca 0.31 0.63 0.08 0.00 -0.22 0.00 0.00 54.13 54.93 1okd s LEU 112 Cb 0.07 0.77 -0.03 0.00 0.50 0.00 0.00 46.19 47.50 1okd s LEU 112 CO 0.15 -0.23 -0.23 -0.63 -1.32 0.00 0.00 176.35 174.09 1okd s ILE 113 N 2.34 1.83 -0.05 6.68 -1.09 -0.08 -0.84 121.20 129.99 1okd s ILE 113 Ca 0.00 -1.30 0.05 0.00 -2.23 0.00 0.00 60.65 57.17 1okd s ILE 113 Cb -0.12 -1.59 -0.01 0.00 -1.58 0.00 0.00 42.46 39.16 1okd s ILE 113 CO -0.09 0.23 -0.21 -0.83 -1.23 0.00 0.00 174.94 172.81 1okd s GLY 114 N -1.29 1.09 0.17 6.18 0.00 -1.15 0.16 107.32 112.48 1okd s GLY 114 Ca 0.09 -0.84 0.03 0.00 0.00 0.00 0.00 44.72 43.99 1okd s GLY 114 CO 0.02 -0.47 -0.03 -1.34 0.00 0.00 0.00 173.10 171.28 1okd s VAL 115 N -0.04 0.89 -0.30 1.40 -7.23 -0.99 -0.81 120.40 113.33 1okd s VAL 115 Ca -0.04 -2.01 -0.11 0.00 -1.81 0.00 0.00 61.98 58.01 1okd s VAL 115 Cb -0.13 -2.06 -0.03 0.00 0.56 0.00 0.00 36.38 34.73 1okd s VAL 115 CO 0.03 -0.55 0.18 -1.81 -0.31 0.00 0.00 175.10 172.64 1okd s ASP 116 N -3.19 5.80 0.09 4.85 1.11 -1.25 -2.06 116.67 122.02 1okd s ASP 116 Ca 0.22 -0.26 -0.25 0.00 0.18 0.00 0.00 52.55 52.44 1okd s ASP 116 Cb 0.05 -2.07 -0.14 0.00 1.07 0.00 0.00 42.92 41.83 1okd s ASP 116 CO 0.03 -0.13 1.70 0.00 1.18 0.00 0.00 175.17 177.95 1okd h ALA 117 N 8.38 -0.24 0.10 5.23 0.00 -1.86 0.94 119.26 131.81 1okd h ALA 117 Ca -0.34 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.53 1okd h ALA 117 Cb 1.17 0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.10 1okd h ALA 117 CO 0.59 -0.65 -0.05 -0.44 0.00 0.00 0.00 179.25 178.70 1okd h ASP 118 N -0.26 -0.12 -0.62 0.00 5.19 -1.83 -0.78 116.42 118.00 1okd h ASP 118 Ca -0.01 -0.43 0.02 0.00 -0.62 0.00 0.00 57.03 55.99 1okd h ASP 118 Cb 0.23 0.03 -0.04 0.00 0.18 0.00 0.00 39.33 39.74 1okd h ASP 118 CO -0.01 0.42 0.40 -1.28 -3.12 0.00 0.00 179.24 175.65 1okd h SER 119 N -0.72 0.66 0.00 6.45 0.87 -1.97 -3.31 113.55 115.54 1okd h SER 119 Ca -0.01 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.54 1okd h SER 119 Cb 0.54 -0.15 0.00 0.00 -0.44 0.00 0.00 62.40 62.35 1okd h SER 119 CO 0.02 0.47 0.00 0.61 -0.53 0.00 0.00 176.83 177.40 1okd n GLY 120 N -1.27 2.06 3.71 5.77 0.00 0.32 -4.68 105.19 111.10 1okd n GLY 120 Ca 0.05 -0.30 -0.36 0.00 0.00 0.00 0.00 46.02 45.42 1okd n GLY 120 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1okd n ASP 121 N 2.99 1.68 -4.74 1.61 8.00 -1.26 -3.97 116.55 120.86 1okd n ASP 121 Ca 0.00 0.75 -0.42 0.00 0.71 0.00 0.00 54.79 55.83 1okd n ASP 121 Cb 0.00 -1.53 -0.02 0.00 -0.02 0.00 0.00 41.12 39.54 1okd n ASP 121 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1okd n VAL 122 N -2.38 0.63 -0.08 2.53 0.31 -1.26 -3.79 118.33 114.30 1okd n VAL 122 Ca 0.15 -0.16 -0.09 0.00 -0.01 0.00 0.00 64.34 64.24 1okd n VAL 122 Cb 0.49 -1.98 -0.11 0.00 -0.91 0.00 0.00 33.84 31.32 1okd n VAL 122 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 1okd n VAL 123 N 2.85 1.04 -3.88 2.52 0.31 -1.17 -4.94 118.33 115.06 1okd n VAL 123 Ca 0.11 -0.59 -0.08 0.00 -0.01 0.00 0.00 64.34 63.78 1okd n VAL 123 Cb 0.36 -0.73 -0.03 0.00 -0.91 0.00 0.00 33.84 32.53 1okd n VAL 123 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 1okd s THR 124 N -2.37 0.00 0.17 2.52 -1.32 0.01 -3.45 115.64 111.21 1okd s THR 124 Ca -0.11 -1.07 0.00 0.00 -1.21 0.00 0.00 61.69 59.29 1okd s THR 124 Cb 0.05 -2.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.04 1okd s THR 124 CO 0.58 -0.01 0.00 0.35 -2.21 0.00 0.00 174.62 173.33 1okd n THR 125 N -0.43 0.00 -1.01 5.08 -2.24 -1.26 -2.95 114.28 111.47 1okd n THR 125 Ca -0.04 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.61 1okd n THR 125 Cb 0.60 -0.36 -0.15 0.00 -2.10 0.00 0.00 70.33 68.33 1okd n THR 125 CO 0.00 0.00 0.00 -2.11 -0.57 0.00 0.00 175.07 172.39 1okd n ARG 126 N -2.98 1.98 0.00 -0.78 -4.01 -1.26 -3.81 116.66 105.79 1okd n ARG 126 Ca 0.00 -1.06 0.09 0.00 -1.04 0.00 0.00 57.85 55.84 1okd n ARG 126 Cb 0.00 -1.95 0.42 0.00 -3.04 0.00 0.00 32.46 27.89 1okd n ARG 126 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 1okd n ALA 127 N 2.29 1.90 -0.16 2.89 0.00 -0.02 -3.25 120.51 124.15 1okd n ALA 127 Ca 0.41 -0.07 0.04 0.00 0.00 0.00 0.00 53.44 53.82 1okd n ALA 127 Cb 0.86 -1.30 0.34 0.00 0.00 0.00 0.00 19.45 19.35 1okd n ALA 127 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.50 177.57 1okd h ARG 128 N 0.00 0.77 0.00 0.00 0.11 -1.76 -2.02 114.38 111.48 1okd h ARG 128 Ca 0.00 -0.05 -0.03 0.00 0.10 0.00 0.00 59.98 60.01 1okd h ARG 128 Cb 0.26 -0.17 -0.00 0.00 1.11 0.00 0.00 29.97 31.16 1okd h ARG 128 CO 0.00 0.51 -0.32 0.00 0.10 0.00 0.00 179.97 180.26 1okd h ALA 129 N 1.61 0.03 -0.55 0.08 0.00 -1.91 -3.37 119.26 115.15 1okd h ALA 129 Ca 0.27 -0.38 0.11 0.00 0.00 0.00 0.00 54.91 54.91 1okd h ALA 129 Cb 0.10 0.26 -0.11 0.00 0.00 0.00 0.00 17.79 18.04 1okd h ALA 129 CO -0.08 0.25 -0.15 1.79 0.00 0.00 0.00 179.25 181.06 1okd h THR 130 N -1.00 0.42 -0.83 0.00 1.35 -1.68 0.98 112.91 112.15 1okd h THR 130 Ca -0.04 0.00 0.20 0.00 -0.55 0.00 0.00 66.41 66.02 1okd h THR 130 Cb 0.46 0.42 -0.05 0.00 -1.73 0.00 0.00 68.15 67.26 1okd h THR 130 CO -0.03 0.00 0.56 0.25 -0.25 0.00 0.00 175.52 176.06 1okd h LEU 131 N -0.02 0.27 0.11 3.87 6.46 -1.57 1.37 115.31 125.80 1okd h LEU 131 Ca 0.26 0.02 -0.35 0.00 -0.12 0.00 0.00 57.88 57.69 1okd h LEU 131 Cb 0.42 -0.03 -0.02 0.00 -0.73 0.00 0.00 40.66 40.30 1okd h LEU 131 CO -0.58 0.11 -1.93 0.58 -0.62 0.00 0.00 178.44 176.01 1okd h VAL 132 N 0.27 0.69 -0.60 1.05 2.07 -0.97 -3.38 116.25 115.37 1okd h VAL 132 Ca 0.42 -2.41 -0.08 0.00 0.82 0.00 0.00 66.70 65.45 1okd h VAL 132 Cb 1.21 2.52 -0.05 0.00 -1.52 0.00 0.00 31.29 33.46 1okd h VAL 132 CO -0.11 0.84 0.09 0.29 0.02 0.00 0.00 177.57 178.71 1okd n LYS 133 N -3.43 4.32 -3.41 1.57 5.02 0.31 -4.65 118.16 117.90 1okd n LYS 133 Ca -0.29 -3.12 -0.26 0.00 -2.02 0.00 0.00 58.31 52.62 1okd n LYS 133 Cb 1.05 -2.22 -0.09 0.00 -0.02 0.00 0.00 35.03 33.76 1okd n LYS 133 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1okd n ASP 134 N 0.24 1.37 -0.92 4.39 -0.08 0.46 -4.87 116.55 117.14 1okd n ASP 134 Ca 0.32 -2.89 0.02 0.00 -1.51 0.00 0.00 54.79 50.73 1okd n ASP 134 Cb 1.24 -0.65 0.13 0.00 2.34 0.00 0.00 41.12 44.18 1okd n ASP 134 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 1okd n PRO 135 N 1.68 2.21 -0.03 -0.67 -0.04 -1.26 -3.63 135.00 133.26 1okd n PRO 135 Ca 0.25 -0.99 -0.02 0.00 -0.04 0.00 0.00 63.50 62.70 1okd n PRO 135 Cb 0.46 -1.72 -0.06 0.00 -0.04 0.00 0.00 33.50 32.14 1okd n PRO 135 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1okd n GLU 136 N 0.20 2.38 -2.17 0.54 1.02 -1.26 -5.00 120.64 116.34 1okd n GLU 136 Ca 0.09 -0.02 -0.20 0.00 -0.02 0.00 0.00 57.16 57.01 1okd n GLU 136 Cb 0.54 -1.19 -0.03 0.00 -0.02 0.00 0.00 31.44 30.74 1okd n GLU 136 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1okd n GLY 137 N 2.47 0.18 0.13 0.62 0.00 -1.24 -4.85 105.19 102.50 1okd n GLY 137 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.92 1okd n GLY 137 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1okd h GLU 138 N 0.00 0.00 -0.26 1.61 5.08 -1.94 -3.33 114.58 115.74 1okd h GLU 138 Ca -0.45 0.00 -0.23 0.00 -1.00 0.00 0.00 59.36 57.68 1okd h GLU 138 Cb 1.33 0.00 -0.33 0.00 0.50 0.00 0.00 28.75 30.26 1okd h GLU 138 CO 0.57 0.62 -0.93 1.04 -1.00 0.00 0.00 179.01 179.31 1okd n GLN 139 N -3.33 1.43 -0.27 2.33 6.02 -1.26 -4.95 117.38 117.35 1okd n GLN 139 Ca 0.01 -3.07 0.19 0.00 -0.01 0.00 0.00 57.00 54.13 1okd n GLN 139 Cb 0.75 -1.17 0.37 0.00 1.02 0.00 0.00 30.24 31.20 1okd n GLN 139 CO 0.00 0.00 0.00 1.97 -1.01 0.00 0.00 177.06 178.02 1okd n PHE 140 N -0.34 0.75 0.49 1.08 -1.74 -1.25 0.33 117.46 116.77 1okd n PHE 140 Ca 0.15 0.97 0.02 0.00 -0.56 0.00 0.00 57.45 58.03 1okd n PHE 140 Cb 0.93 -1.25 0.14 0.00 1.52 0.00 0.00 39.48 40.82 1okd n PHE 140 CO 0.00 0.00 0.00 -0.35 -0.56 0.00 0.00 176.76 175.85 1okd n PRO 141 N -4.99 0.24 -1.00 3.97 -0.04 -1.26 -4.81 135.00 127.12 1okd n PRO 141 Ca 0.25 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.71 1okd n PRO 141 Cb 0.85 -1.30 0.00 0.00 -0.04 0.00 0.00 33.50 33.01 1okd n PRO 141 CO 0.00 0.00 0.00 0.91 -0.04 0.00 0.00 175.50 176.37 1okd n TRP 142 N -0.80 0.00 -4.00 0.54 8.01 0.99 -4.33 117.44 117.84 1okd n TRP 142 Ca 0.04 0.00 -0.36 0.00 -1.31 0.00 0.00 57.50 55.87 1okd n TRP 142 Cb 0.02 0.00 -0.08 0.00 -2.01 0.00 0.00 31.31 29.24 1okd n TRP 142 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 177.69 175.09 1okd s LYS 143 N -1.13 3.52 0.00 -0.99 -2.85 -1.22 -4.48 119.74 112.57 1okd s LYS 143 Ca 0.00 -0.25 0.00 0.00 -1.00 0.00 0.00 55.97 54.72 1okd s LYS 143 Cb 0.00 -3.13 0.00 0.00 -2.06 0.00 0.00 37.83 32.64 1okd s LYS 143 CO 0.00 0.61 0.00 -0.40 0.10 0.00 0.00 175.35 175.66 1okd n ASP 144 N 2.48 0.00 0.06 0.03 5.68 -1.26 -4.97 116.55 118.57 1okd n ASP 144 Ca -0.19 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.10 1okd n ASP 144 Cb 0.54 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.52 1okd n ASP 144 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1okd n ALA 145 N 0.57 1.23 -1.00 2.12 0.00 -1.26 -5.15 120.51 117.03 1okd n ALA 145 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1okd n ALA 145 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1okd n ALA 145 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1okd n PRO 146 N -2.81 -0.09 -1.97 0.00 -0.04 -1.26 -4.92 135.00 123.91 1okd n PRO 146 Ca 0.00 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.44 1okd n PRO 146 Cb 0.00 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 33.45 1okd n PRO 146 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 1okd n LEU 147 N 0.00 -4.65 0.00 1.53 0.00 -1.26 -5.02 117.00 107.60 1okd n LEU 147 Ca 0.00 1.57 0.00 0.00 0.00 0.00 0.00 56.01 57.58 1okd n LEU 147 Cb 0.00 -2.37 0.00 0.00 0.00 0.00 0.00 43.42 41.05 1okd n LEU 147 CO 0.00 -2.09 0.12 -1.84 0.00 0.00 0.00 177.39 173.58 1okd n GLU 148 N 1.07 -0.00 0.00 1.96 0.28 -1.26 -5.20 120.64 117.49 1okd n GLU 148 Ca -0.12 -0.27 0.00 0.00 -0.16 0.00 0.00 57.16 56.61 1okd n GLU 148 Cb 0.19 -0.62 0.00 0.00 1.43 0.00 0.00 31.44 32.44 1okd n GLU 148 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 177.13 177.69